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Details
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
56.00
56.57
3
S
165.30
163.46
4
D
114.80
113.5
5
D
132.80
131.5
6
S
123.30
122.88
7
S
167.60
166.1
10
T
67.60
66.91
11
S
79.00
80.03
13
T
75.00
75.4
15
D
110.70
110.5
17
T
68.60
68.64
18
D
76.80
77.01
20
D
104.40
104.4
22
T
72.10
72.2
23
T
36.40
34.63
24
S
130.80
130.21
25
D
130.90
130.52
26
D
116.10
116.06
27
S
156.75
156.01
29
D
116.10
116.06
30
D
130.90
130.52
31
T
75.00
75.1
33
D
78.10
78.1
35
D
71.70
71.8
37
D
78.50
77.6
39
D
132.80
131.5
40
D
114.80
113.5
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
56.57
56.0
3
S
163.46
165.3
4
D
113.50
114.8
5
D
131.50
132.8
6
S
122.88
123.3
7
S
166.10
167.6
10
T
66.91
67.6
11
S
80.03
79.0
13
T
75.40
75.0
15
D
110.50
110.7
17
T
68.64
68.6
18
D
77.01
76.8
20
D
104.40
104.4
22
T
72.20
72.1
23
T
34.63
36.4
24
S
130.21
130.8
25
D
130.52
130.9
26
D
116.06
116.1
27
S
156.01
156.75
29
D
116.06
116.1
30
D
130.52
130.9
31
D
75.10
75.0
33
D
78.10
78.1
35
D
71.80
71.7
37
D
77.60
78.5
39
D
131.50
132.8
40
D
113.50
114.8
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